8 Matching Annotations
  1. Oct 2021
    1. an approximate closure relation must beused. While many closures have been developed, at this time only three are implemented in 3D-RISM:

      HNC, KH and PSE-n are 3 approximate closure relations implemented in Amber

    Tags

    Annotators

  2. May 2020
    1. when using miniconda, you can’t move the Amber install folder fromits original location

      do not move amber install folder in bundled Miniconda is chosen during installation

    2. 10.2 inclusive

      CUDA10.2 is supported

    3. ecommended choice isgaff2

      gaff2 is recommended for organic molecule

    4. ff19SB

      ff19SB

    Tags

    Annotators

    1. ecommended choice isgaff2

      gaff2 is recommended for organic compounds

    Tags

    Annotators

  3. Feb 2019